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Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

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Abstract

2,4,6-Tris(2-pyrimidyl)-1,3,5-triazine (TPymT) has been synthesized using two approaches: via trimerization of 2-cyanopyrimidine at 160 °C and by the reaction of 2-cyanopyrimidine with pyrimidine-2-carboximidamide. It was found that the two different synthetic pathways to TPymT yielded either a single polymorph or a mixture of two polymorphs; both of which were studied for the first time by X-ray powder diffraction (XRPD) and synchrotron X-ray powder diffraction (SXRPD). The crystal structure of the polymorph α-TPymT was determined by single crystal X-ray diffraction (SCXRD). Crystal structures of 2-cyanopyrimidine and pyrimidine-2-carboximidamide were also elucidated by SXRPD.

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Safin, D. A., Tumanov, N. A., Leitch, A. A., Brusso, J. L., Filinchuk, Y., & Murugesu, M. (2015). Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine. CrystEngComm, 17(10), 2190–2195. https://doi.org/10.1039/c5ce00097a

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